1-cyclopropanecarbonyl-N-(3,4-difluorophenyl)piperidin-3-amine

• ChemBase ID: 458101
• Molecular Formular: C15H18F2N2O
• Molecular Mass: 280.3130264
• Monoisotopic Mass: 280.13871965
• SMILES: N1(C(=O)C2CC2)CC(Nc2cc(c(cc2)F)F)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)Nc1ccc(c(c1)F)F)C1CC1
• InChI: InChI=1S/C15H18F2N2O/c16-13-6-5-11(8-14(13)17)18-12-2-1-7-19(9-12)15(20)10-3-4-10/h5-6,8,10,12,18H,1-4,7,9H2
• InChIKey: ZJGHZNMBOPSOKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-(3,4-difluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-(3,4-difluorophenyl)piperidin-3-amine
• Synonyms: 1-(cyclopropylcarbonyl)-N-(3,4-difluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2101603
• LogD (pH = 7.4): 2.222172
• Log P: 2.2223275
• Molar Refractivity: 73.5853 cm^3
• Polarizability: 27.188408 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.34
• LOG S: -3.78
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3